I. Rabadan et J. Tennyson, AB-INITIO POTENTIAL-ENERGY CURVES OF RYDBERG, VALENCE AND CONTINUUM STATES OF NO, Journal of physics. B, Atomic molecular and optical physics, 30(8), 1997, pp. 1975-1988
Bound states and quasibound Rydberg states of NO are studied as a func
tion of internuclear distances in the range 1.6-3.024 a(0). R-matrix c
alculations which include 12 configuration interaction target states i
n the close-coupling expansion are performed. Rydberg states of up to
n = 10 are studied for the (2) Sigma(+), (2) Pi and (2) Delta symmetri
es of NO. Intruder states, of both valence and Rydberg character, are
followed both above and below the ionization threshold. Where possible
these states are classified as Rydberg states of an excited state of
the ion. Away from avoided crossings, it is found that the quantum def
ects of the Rydberg series converging on the X (1) Sigma(+) state of N
O+ show little sensitivity to bondlength but show considerable depende
nce on the number of states included in the close-coupled expansion.